data_18713 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The budding yeast chaperone Scm3 recognizes the partially unfolded dimer of the centromere-specific Cse4/H4 histone variant ; _BMRB_accession_number 18713 _BMRB_flat_file_name bmr18713.str _Entry_type original _Submission_date 2012-09-13 _Accession_date 2012-09-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'This is a structure of re-engineering single chain of Cse4-LVPRGS-H4' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hong Jingjun . . 2 Feng Hanqiao . . 3 Zhou Zheng . . 4 Ghirlando Rodolfo . . 5 Bai Yawen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 683 "13C chemical shifts" 487 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-10 original BMRB . stop_ _Original_release_date 2012-09-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The budding yeast chaperone Scm3 recognizes the partially unfolded dimer of the ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hong Jingjun . . 2 Feng Hanqiao . . 3 Zhou Zheng . . 4 Ghirlando Rodolfo . . 5 Bai Yawen . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sC4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label sC4 $sC4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_sC4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sC4 _Molecular_mass 13718.007 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; LISKIPFARLVKEVTDEFTT KDQDLRWQSMAIMALQEASE AYLVGLLEHTNLLALHLVPR GSKRISGLIYEEVRAVLKSF LESVIRDSVTYTEHAKRKTV TSLDVVYALKRQGRTLYGFG G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 LEU 2 2 ILE 3 3 SER 4 4 LYS 5 5 ILE 6 6 PRO 7 7 PHE 8 8 ALA 9 9 ARG 10 10 LEU 11 11 VAL 12 12 LYS 13 13 GLU 14 14 VAL 15 15 THR 16 16 ASP 17 17 GLU 18 18 PHE 19 19 THR 20 20 THR 21 21 LYS 22 22 ASP 23 23 GLN 24 24 ASP 25 25 LEU 26 26 ARG 27 27 TRP 28 28 GLN 29 29 SER 30 30 MET 31 31 ALA 32 32 ILE 33 33 MET 34 34 ALA 35 35 LEU 36 36 GLN 37 37 GLU 38 38 ALA 39 39 SER 40 40 GLU 41 41 ALA 42 42 TYR 43 43 LEU 44 44 VAL 45 45 GLY 46 46 LEU 47 47 LEU 48 48 GLU 49 49 HIS 50 50 THR 51 51 ASN 52 52 LEU 53 53 LEU 54 54 ALA 55 55 LEU 56 56 HIS 57 57 LEU 58 58 VAL 59 59 PRO 60 60 ARG 61 61 GLY 62 62 SER 63 63 LYS 64 64 ARG 65 65 ILE 66 66 SER 67 67 GLY 68 68 LEU 69 69 ILE 70 70 TYR 71 71 GLU 72 72 GLU 73 73 VAL 74 74 ARG 75 75 ALA 76 76 VAL 77 77 LEU 78 78 LYS 79 79 SER 80 80 PHE 81 81 LEU 82 82 GLU 83 83 SER 84 84 VAL 85 85 ILE 86 86 ARG 87 87 ASP 88 88 SER 89 89 VAL 90 90 THR 91 91 TYR 92 92 THR 93 93 GLU 94 94 HIS 95 95 ALA 96 96 LYS 97 97 ARG 98 98 LYS 99 99 THR 100 100 VAL 101 101 THR 102 102 SER 103 103 LEU 104 104 ASP 105 105 VAL 106 106 VAL 107 107 TYR 108 108 ALA 109 109 LEU 110 110 LYS 111 111 ARG 112 112 GLN 113 113 GLY 114 114 ARG 115 115 THR 116 116 LEU 117 117 TYR 118 118 GLY 119 119 PHE 120 120 GLY 121 121 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $sC4 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae . Cse4p 'Saccharomyces cerevisiae S288c' $sC4 "Baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 'ATCC 204508 / S288c' 'HHF1 YBR009C YBR0122' "Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)" stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $sC4 'recombinant technology' . Escherichia coli BL21 pET-28 'E. coli BL21-CodonPlus-RIPL (Stratagene, USA) were used' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N, 13C/15N or 13C/15N/D labeled single chain Cse4-H4(sC4) in 50 mM MES, pH 5.4, 308.1K.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sC4 0.8 mM '[U-100% 15N]' $sC4 0.8 mM '[U-100% 13C; U-100% 15N]' $sC4 0.8 mM '[U-13C; U-15N; U-2H]' $sC4 0.8 mM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '13C/15N labeled single chain Cse4-H4(sC4) in 50 mM MES, pH 5.4, 308.1K.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sC4 0.8 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'single chain Cse4-H4(sC4) in 50 mM MES, pH 5.4, 308.1K.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sC4 0.8 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version updated loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details 'nmmr data processing' save_ save_NMRView _Saveframe_category software _Name NMRView _Version updated loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version updated loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version updated loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'All sample are in the same buffer of 50 mM MES, pH 5.4.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.4 0.1 pH pressure 1 . atm temperature 308.1 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio sC4 C 13 Carbon ppm 0.0 external indirect . 'separate tube (no insert) not similar to the experimental sample tube' . 1.0 sC4 H 1 protons ppm 0.0 external direct . 'separate tube (no insert) not similar to the experimental sample tube' . 1.0 sC4 N 15 nitrogen ppm 0.0 external indirect . 'separate tube (no insert) not similar to the experimental sample tube' . 1.0 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name sC4 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ILE HA H 4.1750 . 1 2 2 2 ILE HB H 2.1070 . 1 3 2 2 ILE HG12 H 1.5560 . 1 4 2 2 ILE HG13 H 1.2870 . 1 5 2 2 ILE HG2 H 0.9330 . 1 6 2 2 ILE HD1 H 0.8740 . 1 7 2 2 ILE CA C 61.8800 . 1 8 2 2 ILE CB C 37.7700 . 1 9 2 2 ILE CG1 C 27.4500 . 1 10 2 2 ILE CG2 C 18.0500 . 1 11 2 2 ILE CD1 C 13.5500 . 1 12 3 3 SER H H 7.9130 . 1 13 3 3 SER HA H 4.4350 . 1 14 3 3 SER HB2 H 4.0130 . 1 15 3 3 SER HB3 H 4.0130 . 1 16 3 3 SER CA C 59.590 . 1 17 3 3 SER CB C 63.6400 . 1 18 3 3 SER N N 116.020 . 1 19 4 4 LYS H H 7.9790 . 1 20 4 4 LYS HA H 4.380 . 1 21 4 4 LYS HB2 H 1.9230 . 1 22 4 4 LYS HB3 H 1.8280 . 1 23 4 4 LYS HG2 H 1.5050 . 1 24 4 4 LYS HG3 H 1.4590 . 1 25 4 4 LYS HD2 H 1.6950 . 1 26 4 4 LYS HD3 H 1.6950 . 1 27 4 4 LYS HE2 H 3.0280 . 1 28 4 4 LYS HE3 H 3.0280 . 1 29 4 4 LYS CA C 56.1500 . 1 30 4 4 LYS CB C 32.8500 . 1 31 4 4 LYS CG C 25.4500 . 1 32 4 4 LYS CD C 28.700 . 1 33 4 4 LYS CE C 42.0500 . 1 34 4 4 LYS N N 120.030 . 1 35 7 7 PHE HA H 4.0230 . 1 36 7 7 PHE HB2 H 3.0870 . 1 37 7 7 PHE HB3 H 3.0870 . 1 38 7 7 PHE C C 176.700 . 1 39 7 7 PHE CA C 63.1500 . 1 40 7 7 PHE CB C 39.880 . 1 41 8 8 ALA H H 8.7150 . 1 42 8 8 ALA HA H 3.920 . 1 43 8 8 ALA HB H 1.4650 . 1 44 8 8 ALA C C 178.0100 . 1 45 8 8 ALA CA C 55.6300 . 1 46 8 8 ALA CB C 17.7500 . 1 47 8 8 ALA N N 121.230 . 1 48 9 9 ARG H H 7.6180 . 1 49 9 9 ARG HA H 4.0810 . 1 50 9 9 ARG HB2 H 1.9780 . 1 51 9 9 ARG HB3 H 1.8980 . 1 52 9 9 ARG HG2 H 1.770 . 1 53 9 9 ARG HG3 H 1.770 . 1 54 9 9 ARG HD2 H 3.170 . 1 55 9 9 ARG HD3 H 3.037 . 1 56 9 9 ARG C C 177.7900 . 1 57 9 9 ARG CA C 58.7000 . 1 58 9 9 ARG CB C 30.1200 . 1 59 9 9 ARG CG C 26.4500 . 1 60 9 9 ARG CD C 43.5200 . 1 61 9 9 ARG N N 118.9100 . 1 62 10 10 LEU H H 7.7520 . 1 63 10 10 LEU HA H 4.2330 . 1 64 10 10 LEU HB2 H 1.7820 . 1 65 10 10 LEU HB3 H 1.6260 . 1 66 10 10 LEU HG H 1.4460 . 1 67 10 10 LEU HD1 H 0.8450 . 1 68 10 10 LEU HD2 H 0.7830 . 1 69 10 10 LEU C C 177.7800 . 1 70 10 10 LEU CA C 57.680 . 1 71 10 10 LEU CB C 41.6800 . 1 72 10 10 LEU CG C 27.9500 . 1 73 10 10 LEU CD1 C 25.1500 . 1 74 10 10 LEU CD2 C 24.7500 . 1 75 10 10 LEU N N 120.830 . 1 76 11 11 VAL H H 8.180 . 1 77 11 11 VAL HA H 3.4250 . 1 78 11 11 VAL HB H 2.0650 . 1 79 11 11 VAL HG1 H 0.9180 . 1 80 11 11 VAL HG2 H 0.7640 . 1 81 11 11 VAL C C 177.8300 . 1 82 11 11 VAL CA C 66.9300 . 1 83 11 11 VAL CB C 31.5200 . 1 84 11 11 VAL CG1 C 23.4500 . 1 85 11 11 VAL CG2 C 22.430 . 1 86 11 11 VAL N N 117.150 . 1 87 12 12 LYS H H 7.6680 . 1 88 12 12 LYS HA H 3.9980 . 1 89 12 12 LYS HB2 H 1.9970 . 1 90 12 12 LYS HB3 H 1.8450 . 1 91 12 12 LYS HG2 H 1.4180 . 1 92 12 12 LYS HG3 H 1.4180 . 1 93 12 12 LYS HD2 H 1.7270 . 1 94 12 12 LYS HD3 H 1.6050 . 1 95 12 12 LYS HE2 H 3.0550 . 1 96 12 12 LYS HE3 H 3.0550 . 1 97 12 12 LYS C C 176.7900 . 1 98 12 12 LYS CA C 58.9500 . 1 99 12 12 LYS CB C 32.1200 . 1 100 12 12 LYS CG C 25.6500 . 1 101 12 12 LYS CD C 28.200 . 1 102 12 12 LYS CE C 42.2500 . 1 103 12 12 LYS N N 121.880 . 1 104 13 13 GLU H H 8.1490 . 1 105 13 13 GLU HA H 4.0850 . 1 106 13 13 GLU HB2 H 2.2400 . 1 107 13 13 GLU HB3 H 2.0420 . 1 108 13 13 GLU HG2 H 2.5750 . 1 109 13 13 GLU HG3 H 2.240 . 1 110 13 13 GLU C C 179.2800 . 1 111 13 13 GLU CA C 59.6500 . 1 112 13 13 GLU CB C 29.7700 . 1 113 13 13 GLU CG C 36.4500 . 1 114 13 13 GLU N N 118.250 . 1 115 14 14 VAL H H 7.9740 . 1 116 14 14 VAL HA H 4.0070 . 1 117 14 14 VAL HB H 2.0020 . 1 118 14 14 VAL HG1 H 1.1450 . 1 119 14 14 VAL HG2 H 1.079 . 1 120 14 14 VAL C C 178.3500 . 1 121 14 14 VAL CA C 66.2200 . 1 122 14 14 VAL CB C 31.2500 . 1 123 14 14 VAL CG1 C 23.1500 . 1 124 14 14 VAL CG2 C 23.6500 . 1 125 14 14 VAL N N 117.450 . 1 126 15 15 THR H H 8.5690 . 1 127 15 15 THR HA H 3.7710 . 1 128 15 15 THR HB H 3.2250 . 1 129 15 15 THR HG2 H 0.3270 . 1 130 15 15 THR C C 178.1900 . 1 131 15 15 THR CA C 66.9900 . 1 132 15 15 THR CB C 68.5900 . 1 133 15 15 THR CG2 C 21.5500 . 1 134 15 15 THR N N 113.7800 . 1 135 16 16 ASP H H 8.6640 . 1 136 16 16 ASP HA H 4.5450 . 1 137 16 16 ASP HB2 H 2.9020 . 1 138 16 16 ASP HB3 H 2.6150 . 1 139 16 16 ASP C C 178.4500 . 1 140 16 16 ASP CA C 57.4100 . 1 141 16 16 ASP CB C 39.8800 . 1 142 16 16 ASP N N 123.420 . 1 143 17 17 GLU H H 7.7050 . 1 144 17 17 GLU HA H 4.0890 . 1 145 17 17 GLU HB2 H 2.2850 . 1 146 17 17 GLU HB3 H 2.2850 . 1 147 17 17 GLU HG2 H 2.5700 . 1 148 17 17 GLU HG3 H 2.2170 . 1 149 17 17 GLU C C 178.2200 . 1 150 17 17 GLU CA C 59.0500 . 1 151 17 17 GLU CB C 28.8500 . 1 152 17 17 GLU CG C 34.9500 . 1 153 17 17 GLU N N 120.180 . 1 154 18 18 PHE H H 7.9110 . 1 155 18 18 PHE HA H 4.3960 . 1 156 18 18 PHE HB2 H 3.3420 . 1 157 18 18 PHE HB3 H 3.2610 . 1 158 18 18 PHE HD1 H 7.2150 . 1 159 18 18 PHE HD2 H 7.2150 . 1 160 18 18 PHE HE1 H 7.5840 . 1 161 18 18 PHE HE2 H 7.5840 . 1 162 18 18 PHE HZ H 7.440 . 1 163 18 18 PHE C C 177.1300 . 1 164 18 18 PHE CA C 60.7200 . 1 165 18 18 PHE CB C 39.8800 . 1 166 18 18 PHE N N 117.450 . 1 167 19 19 THR H H 8.2700 . 1 168 19 19 THR HA H 4.510 . 1 169 19 19 THR HB H 4.4230 . 1 170 19 19 THR HG2 H 1.4020 . 1 171 19 19 THR C C 175.1600 . 1 172 19 19 THR CA C 63.8800 . 1 173 19 19 THR CB C 69.4500 . 1 174 19 19 THR CG2 C 22.3500 . 1 175 19 19 THR N N 115.450 . 1 176 20 20 THR H H 7.9740 . 1 177 20 20 THR HA H 4.2620 . 1 178 20 20 THR HB H 4.3590 . 1 179 20 20 THR HG2 H 1.3150 . 1 180 20 20 THR C C 175.2800 . 1 181 20 20 THR CA C 63.8500 . 1 182 20 20 THR CB C 69.2500 . 1 183 20 20 THR CG2 C 21.8300 . 1 184 20 20 THR N N 114.370 . 1 185 21 21 LYS H H 7.5190 . 1 186 21 21 LYS HA H 4.2910 . 1 187 21 21 LYS HB2 H 1.9250 . 1 188 21 21 LYS HB3 H 1.8370 . 1 189 21 21 LYS HG2 H 1.4780 . 1 190 21 21 LYS HG3 H 1.4780 . 1 191 21 21 LYS HD2 H 1.6660 . 1 192 21 21 LYS HD3 H 1.6350 . 1 193 21 21 LYS HE2 H 2.970 . 1 194 21 21 LYS HE3 H 2.970 . 1 195 21 21 LYS C C 176.0700 . 1 196 21 21 LYS CA C 57.1800 . 1 197 21 21 LYS CB C 32.8300 . 1 198 21 21 LYS CG C 24.6500 . 1 199 21 21 LYS CD C 28.6500 . 1 200 21 21 LYS CE C 42.0500 . 1 201 21 21 LYS N N 119.710 . 1 202 22 22 ASP H H 7.8410 . 1 203 22 22 ASP HA H 4.730 . 1 204 22 22 ASP HB2 H 2.9190 . 1 205 22 22 ASP HB3 H 2.6080 . 1 206 22 22 ASP C C 175.0800 . 1 207 22 22 ASP CA C 53.7700 . 1 208 22 22 ASP CB C 39.9900 . 1 209 22 22 ASP N N 119.020 . 1 210 23 23 GLN H H 8.3130 . 1 211 23 23 GLN HA H 4.4250 . 1 212 23 23 GLN HB2 H 2.4710 . 1 213 23 23 GLN HB3 H 2.1150 . 1 214 23 23 GLN HG2 H 2.4710 . 1 215 23 23 GLN HG3 H 2.4710 . 1 216 23 23 GLN HE21 H 6.8210 . 1 217 23 23 GLN HE22 H 7.5520 . 1 218 23 23 GLN C C 175.8600 . 1 219 23 23 GLN CA C 57.5300 . 1 220 23 23 GLN CB C 29.0500 . 1 221 23 23 GLN CG C 33.4500 . 1 222 23 23 GLN N N 120.7200 . 1 223 23 23 GLN NE2 N 112.1030 . 1 224 24 24 ASP H H 8.3130 . 1 225 24 24 ASP HA H 4.6550 . 1 226 24 24 ASP HB2 H 2.7450 . 1 227 24 24 ASP HB3 H 2.6580 . 1 228 24 24 ASP C C 174.8400 . 1 229 24 24 ASP CA C 54.5600 . 1 230 24 24 ASP CB C 41.290 . 1 231 24 24 ASP N N 119.150 . 1 232 25 25 LEU H H 7.5720 . 1 233 25 25 LEU HA H 4.6020 . 1 234 25 25 LEU HB2 H 1.6150 . 1 235 25 25 LEU HB3 H 1.4380 . 1 236 25 25 LEU HG H 1.4160 . 1 237 25 25 LEU HD1 H 0.7950 . 1 238 25 25 LEU HD2 H 0.8180 . 1 239 25 25 LEU C C 176.5500 . 1 240 25 25 LEU CA C 55.0600 . 1 241 25 25 LEU CB C 43.5200 . 1 242 25 25 LEU CG C 26.9500 . 1 243 25 25 LEU CD1 C 24.6500 . 1 244 25 25 LEU CD2 C 24.6500 . 1 245 25 25 LEU N N 121.240 . 1 246 26 26 ARG H H 8.3850 . 1 247 26 26 ARG HA H 4.7870 . 1 248 26 26 ARG HB2 H 1.8650 . 1 249 26 26 ARG HB3 H 1.8650 . 1 250 26 26 ARG HG2 H 1.6750 . 1 251 26 26 ARG HG3 H 1.6750 . 1 252 26 26 ARG HD2 H 3.3240 . 1 253 26 26 ARG HD3 H 3.2020 . 1 254 26 26 ARG C C 174.0400 . 1 255 26 26 ARG CA C 54.0100 . 1 256 26 26 ARG CB C 33.1700 . 1 257 26 26 ARG CG C 26.6500 . 1 258 26 26 ARG CD C 43.0200 . 1 259 26 26 ARG N N 123.560 . 1 260 27 27 TRP H H 8.8240 . 1 261 27 27 TRP HA H 4.6080 . 1 262 27 27 TRP HB2 H 3.1630 . 1 263 27 27 TRP HB3 H 3.0350 . 1 264 27 27 TRP HD1 H 7.070 . 1 265 27 27 TRP HE1 H 9.6950 . 1 266 27 27 TRP HE3 H 7.3370 . 1 267 27 27 TRP HZ2 H 7.220 . 1 268 27 27 TRP HZ3 H 7.190 . 1 269 27 27 TRP HH2 H 6.755 . 1 270 27 27 TRP C C 176.2800 . 1 271 27 27 TRP CA C 56.1100 . 1 272 27 27 TRP CB C 30.3500 . 1 273 27 27 TRP N N 121.230 . 1 274 28 28 GLN H H 8.4270 . 1 275 28 28 GLN HA H 4.1630 . 1 276 28 28 GLN HB2 H 1.8670 . 1 277 28 28 GLN HB3 H 1.8670 . 1 278 28 28 GLN HG2 H 2.480 . 1 279 28 28 GLN HG3 H 2.480 . 1 280 28 28 GLN HE21 H 7.6030 . 1 281 28 28 GLN HE22 H 7.110 . 1 282 28 28 GLN C C 176.2800 . 1 283 28 28 GLN CA C 56.8500 . 1 284 28 28 GLN CB C 32.8300 . 1 285 28 28 GLN CG C 31.5600 . 1 286 28 28 GLN N N 122.270 . 1 287 28 28 GLN NE2 N 112.4280 . 1 288 29 29 SER HA H 4.2760 . 1 289 29 29 SER HB2 H 2.590 . 1 290 29 29 SER HB3 H 2.590 . 1 291 29 29 SER CA C 63.1800 . 1 292 29 29 SER CB C 62.9300 . 1 293 30 30 MET HA H 4.430 . 1 294 30 30 MET HB2 H 2.250 . 1 295 30 30 MET HB3 H 2.2500 . 1 296 30 30 MET HG2 H 2.4780 . 1 297 30 30 MET HG3 H 2.4780 . 1 298 30 30 MET C C 178.4500 . 1 299 30 30 MET CA C 57.7600 . 1 300 30 30 MET CB C 32.1200 . 1 301 30 30 MET CG C 31.5500 . 1 302 31 31 ALA H H 7.6190 . 1 303 31 31 ALA HA H 4.0150 . 1 304 31 31 ALA HB H 1.6500 . 1 305 31 31 ALA C C 178.0900 . 1 306 31 31 ALA CA C 55.4300 . 1 307 31 31 ALA CB C 18.5900 . 1 308 31 31 ALA N N 122.7500 . 1 309 32 32 ILE H H 7.5030 . 1 310 32 32 ILE HA H 3.6910 . 1 311 32 32 ILE HB H 2.3230 . 1 312 32 32 ILE HG12 H 1.6160 . 1 313 32 32 ILE HG13 H 1.3880 . 1 314 32 32 ILE HG2 H 0.9450 . 1 315 32 32 ILE HD1 H 0.5960 . 1 316 32 32 ILE C C 178.4100 . 1 317 32 32 ILE CA C 63.2900 . 1 318 32 32 ILE CB C 36.1200 . 1 319 32 32 ILE CG1 C 27.700 . 1 320 32 32 ILE CG2 C 17.3500 . 1 321 32 32 ILE CD1 C 10.5500 . 1 322 32 32 ILE N N 117.950 . 1 323 33 33 MET H H 8.0340 . 1 324 33 33 MET HA H 4.2690 . 1 325 33 33 MET HB2 H 2.7500 . 1 326 33 33 MET HB3 H 2.2820 . 1 327 33 33 MET HG2 H 2.7500 . 1 328 33 33 MET HG3 H 2.750 . 1 329 33 33 MET C C 177.9700 . 1 330 33 33 MET CA C 57.6700 . 1 331 33 33 MET CB C 32.0400 . 1 332 33 33 MET CG C 32.5500 . 1 333 33 33 MET N N 118.7900 . 1 334 34 34 ALA H H 8.0070 . 1 335 34 34 ALA HA H 3.9440 . 1 336 34 34 ALA HB H 1.3470 . 1 337 34 34 ALA C C 179.6800 . 1 338 34 34 ALA CA C 55.2900 . 1 339 34 34 ALA CB C 17.0500 . 1 340 34 34 ALA N N 122.470 . 1 341 35 35 LEU H H 8.0030 . 1 342 35 35 LEU HA H 3.9450 . 1 343 35 35 LEU HB2 H 2.1990 . 1 344 35 35 LEU HB3 H 1.3560 . 1 345 35 35 LEU HG H 1.4740 . 1 346 35 35 LEU HD1 H 0.8640 . 1 347 35 35 LEU HD2 H 0.6870 . 1 348 35 35 LEU C C 179.6300 . 1 349 35 35 LEU CA C 57.8800 . 1 350 35 35 LEU CB C 42.7100 . 1 351 35 35 LEU CG C 26.6500 . 1 352 35 35 LEU CD1 C 23.9500 . 1 353 35 35 LEU CD2 C 23.9400 . 1 354 35 35 LEU N N 118.310 . 1 355 36 36 GLN H H 8.5320 . 1 356 36 36 GLN HA H 3.7180 . 1 357 36 36 GLN HB2 H 2.1250 . 1 358 36 36 GLN HB3 H 2.2250 . 1 359 36 36 GLN HG2 H 2.3480 . 1 360 36 36 GLN HG3 H 2.3480 . 1 361 36 36 GLN HE21 H 7.310 . 1 362 36 36 GLN HE22 H 6.8050 . 1 363 36 36 GLN C C 177.8500 . 1 364 36 36 GLN CA C 60.1500 . 1 365 36 36 GLN CB C 28.1500 . 1 366 36 36 GLN CG C 34.2500 . 1 367 36 36 GLN N N 122.480 . 1 368 36 36 GLN NE2 N 109.9830 . 1 369 37 37 GLU H H 8.5620 . 1 370 37 37 GLU HA H 4.0430 . 1 371 37 37 GLU HB2 H 2.1450 . 1 372 37 37 GLU HB3 H 2.1450 . 1 373 37 37 GLU HG2 H 2.5120 . 1 374 37 37 GLU C C 179.1900 . 1 375 37 37 GLU CA C 59.6500 . 1 376 37 37 GLU CB C 28.1200 . 1 377 37 37 GLU CG C 36.2500 . 1 378 37 37 GLU N N 120.790 . 1 379 38 38 ALA H H 8.6260 . 1 380 38 38 ALA HA H 4.2280 . 1 381 38 38 ALA HB H 1.6420 . 1 382 38 38 ALA C C 179.7400 . 1 383 38 38 ALA CA C 54.5500 . 1 384 38 38 ALA CB C 19.0500 . 1 385 38 38 ALA N N 121.430 . 1 386 39 39 SER H H 8.1600 . 1 387 39 39 SER HA H 4.1590 . 1 388 39 39 SER HB2 H 3.9680 . 1 389 39 39 SER HB3 H 3.9680 . 1 390 39 39 SER C C 174.4900 . 1 391 39 39 SER CA C 62.550 . 1 392 39 39 SER CB C 64.5800 . 1 393 39 39 SER N N 115.350 . 1 394 40 40 GLU H H 7.6320 . 1 395 40 40 GLU HA H 3.5450 . 1 396 40 40 GLU HB2 H 1.4630 . 1 397 40 40 GLU HB3 H 1.4630 . 1 398 40 40 GLU HG2 H 1.770 . 1 399 40 40 GLU HG3 H 1.9970 . 1 400 40 40 GLU C C 177.0800 . 1 401 40 40 GLU CA C 59.8900 . 1 402 40 40 GLU CB C 28.1500 . 1 403 40 40 GLU CG C 35.5500 . 1 404 40 40 GLU N N 123.380 . 1 405 41 41 ALA H H 7.860 . 1 406 41 41 ALA HA H 4.0070 . 1 407 41 41 ALA HB H 1.5030 . 1 408 41 41 ALA C C 180.3700 . 1 409 41 41 ALA CA C 54.9300 . 1 410 41 41 ALA CB C 18.1500 . 1 411 41 41 ALA N N 120.090 . 1 412 42 42 TYR H H 8.2660 . 1 413 42 42 TYR HA H 3.970 . 1 414 42 42 TYR HB2 H 2.5790 . 1 415 42 42 TYR HB3 H 2.4650 . 1 416 42 42 TYR HD1 H 6.600 . 1 417 42 42 TYR HD2 H 6.600 . 1 418 42 42 TYR HE1 H 6.4850 . 1 419 42 42 TYR HE2 H 6.4850 . 1 420 42 42 TYR C C 177.220 . 1 421 42 42 TYR CA C 60.3500 . 1 422 42 42 TYR CB C 38.4500 . 1 423 42 42 TYR N N 120.400 . 1 424 43 43 LEU H H 8.080 . 1 425 43 43 LEU HA H 3.8120 . 1 426 43 43 LEU HB2 H 1.9400 . 1 427 43 43 LEU HB3 H 1.8350 . 1 428 43 43 LEU HG H 1.8350 . 1 429 43 43 LEU HD1 H 1.020 . 1 430 43 43 LEU HD2 H 0.9630 . 1 431 43 43 LEU C C 177.7900 . 1 432 43 43 LEU CA C 57.5300 . 1 433 43 43 LEU CB C 41.9900 . 1 434 43 43 LEU CG C 27.2500 . 1 435 43 43 LEU CD1 C 25.6500 . 1 436 43 43 LEU CD2 C 24.1500 . 1 437 43 43 LEU N N 119.630 . 1 438 44 44 VAL H H 8.4150 . 1 439 44 44 VAL HA H 3.450 . 1 440 44 44 VAL HB H 2.0850 . 1 441 44 44 VAL HG1 H 1.0330 . 1 442 44 44 VAL HG2 H 0.8780 . 1 443 44 44 VAL C C 177.9600 . 1 444 44 44 VAL CA C 67.1500 . 1 445 44 44 VAL CB C 31.2500 . 1 446 44 44 VAL CG1 C 23.3500 . 1 447 44 44 VAL CG2 C 21.5500 . 1 448 44 44 VAL N N 118.320 . 1 449 45 45 GLY H H 7.7470 . 1 450 45 45 GLY HA2 H 3.8560 . 1 451 45 45 GLY HA3 H 3.8560 . 1 452 45 45 GLY C C 176.0700 . 1 453 45 45 GLY CA C 47.4100 . 1 454 45 45 GLY N N 106.020 . 1 455 46 46 LEU H H 7.8020 . 1 456 46 46 LEU HA H 4.0020 . 1 457 46 46 LEU HB2 H 1.6850 . 1 458 46 46 LEU HB3 H 1.3840 . 1 459 46 46 LEU HG H 1.4070 . 1 460 46 46 LEU HD1 H 0.6750 . 1 461 46 46 LEU HD2 H 0.6990 . 1 462 46 46 LEU C C 179.5200 . 1 463 46 46 LEU CA C 57.4100 . 1 464 46 46 LEU CB C 42.3500 . 1 465 46 46 LEU CG C 26.4500 . 1 466 46 46 LEU CD1 C 25.4500 . 1 467 46 46 LEU CD2 C 23.4500 . 1 468 46 46 LEU N N 122.340 . 1 469 47 47 LEU H H 8.0820 . 1 470 47 47 LEU HA H 4.1690 . 1 471 47 47 LEU HB2 H 1.8870 . 1 472 47 47 LEU HB3 H 1.540 . 1 473 47 47 LEU HG H 1.6870 . 1 474 47 47 LEU HD1 H 0.8240 . 1 475 47 47 LEU HD2 H 0.8240 . 1 476 47 47 LEU C C 178.2100 . 1 477 47 47 LEU CA C 56.9500 . 1 478 47 47 LEU CB C 41.8500 . 1 479 47 47 LEU CG C 25.6500 . 1 480 47 47 LEU CD1 C 25.6500 . 1 481 47 47 LEU CD2 C 22.9800 . 1 482 47 47 LEU N N 118.4500 . 1 483 48 48 GLU H H 7.870 . 1 484 48 48 GLU HA H 4.1420 . 1 485 48 48 GLU HB2 H 1.9650 . 1 486 48 48 GLU HB3 H 1.9650 . 1 487 48 48 GLU HG2 H 2.1540 . 1 488 48 48 GLU HG3 H 2.3540 . 1 489 48 48 GLU C C 177.1200 . 1 490 48 48 GLU CA C 57.4500 . 1 491 48 48 GLU CB C 30.0100 . 1 492 48 48 GLU CG C 36.2500 . 1 493 48 48 GLU N N 116.980 . 1 494 49 49 HIS H H 7.8330 . 1 495 49 49 HIS HA H 4.8780 . 1 496 49 49 HIS HB2 H 3.4210 . 1 497 49 49 HIS HB3 H 3.1690 . 1 498 49 49 HIS C C 174.0700 . 1 499 49 49 HIS CA C 55.7600 . 1 500 49 49 HIS CB C 29.8800 . 1 501 49 49 HIS N N 114.660 . 1 502 50 50 THR H H 7.8710 . 1 503 50 50 THR HA H 4.5710 . 1 504 50 50 THR HB H 4.2750 . 1 505 50 50 THR HG2 H 1.2470 . 1 506 50 50 THR C C 173.3900 . 1 507 50 50 THR CA C 61.8800 . 1 508 50 50 THR CB C 70.3500 . 1 509 50 50 THR CG2 C 21.5500 . 1 510 50 50 THR N N 113.050 . 1 511 51 51 ASN H H 8.4770 . 1 512 51 51 ASN HA H 4.8680 . 1 513 51 51 ASN HB2 H 2.9140 . 1 514 51 51 ASN HB3 H 2.8650 . 1 515 51 51 ASN HD21 H 7.5920 . 1 516 51 51 ASN HD22 H 6.8730 . 1 517 51 51 ASN C C 175.4400 . 1 518 51 51 ASN CA C 52.8700 . 1 519 51 51 ASN CB C 38.4700 . 1 520 51 51 ASN N N 119.760 . 1 521 51 51 ASN ND2 N 112.4280 . 1 522 52 52 LEU H H 8.0890 . 1 523 52 52 LEU HA H 4.1440 . 1 524 52 52 LEU HB2 H 1.650 . 1 525 52 52 LEU HB3 H 1.560 . 1 526 52 52 LEU HG H 1.6890 . 1 527 52 52 LEU HD1 H 0.9330 . 1 528 52 52 LEU HD2 H 0.8590 . 1 529 52 52 LEU C C 177.4400 . 1 530 52 52 LEU CA C 56.8800 . 1 531 52 52 LEU CB C 42.2400 . 1 532 52 52 LEU CG C 27.6500 . 1 533 52 52 LEU CD1 C 24.9500 . 1 534 52 52 LEU CD2 C 23.930 . 1 535 52 52 LEU N N 121.360 . 1 536 53 53 LEU H H 8.1650 . 1 537 53 53 LEU HA H 4.2550 . 1 538 53 53 LEU HB2 H 1.680 . 1 539 53 53 LEU HB3 H 1.570 . 1 540 53 53 LEU HG H 1.6180 . 1 541 53 53 LEU HD1 H 0.9110 . 1 542 53 53 LEU HD2 H 0.8770 . 1 543 53 53 LEU C C 177.360 . 1 544 53 53 LEU CA C 56.0100 . 1 545 53 53 LEU CB C 41.7700 . 1 546 53 53 LEU CG C 27.2500 . 1 547 53 53 LEU CD1 C 25.2500 . 1 548 53 53 LEU CD2 C 25.2500 . 1 549 53 53 LEU N N 119.3500 . 1 550 54 54 ALA H H 7.9690 . 1 551 54 54 ALA HA H 4.2220 . 1 552 54 54 ALA HB H 1.4050 . 1 553 54 54 ALA C C 177.6200 . 1 554 54 54 ALA CA C 53.2500 . 1 555 54 54 ALA CB C 18.8200 . 1 556 54 54 ALA N N 122.3100 . 1 557 55 55 LEU H H 7.6960 . 1 558 55 55 LEU HA H 4.2330 . 1 559 55 55 LEU HB2 H 1.6370 . 1 560 55 55 LEU HB3 H 1.6370 . 1 561 55 55 LEU HG H 1.6170 . 1 562 55 55 LEU HD1 H 0.8990 . 1 563 55 55 LEU HD2 H 0.8440 . 1 564 55 55 LEU C C 176.7400 . 1 565 55 55 LEU CA C 55.4200 . 1 566 55 55 LEU CB C 42.3500 . 1 567 55 55 LEU CG C 26.9500 . 1 568 55 55 LEU CD1 C 25.4500 . 1 569 55 55 LEU CD2 C 25.4500 . 1 570 55 55 LEU N N 117.930 . 1 571 56 56 HIS H H 8.1960 . 1 572 56 56 HIS HA H 4.6650 . 1 573 56 56 HIS HB2 H 3.2880 . 1 574 56 56 HIS HB3 H 3.2880 . 1 575 56 56 HIS C C 174.1500 . 1 576 56 56 HIS CA C 55.4200 . 1 577 56 56 HIS CB C 29.2500 . 1 578 56 56 HIS N N 117.120 . 1 579 57 57 LEU H H 7.9890 . 1 580 57 57 LEU HA H 4.4140 . 1 581 57 57 LEU HB2 H 1.690 . 1 582 57 57 LEU HB3 H 1.5700 . 1 583 57 57 LEU HG H 1.5460 . 1 584 57 57 LEU HD1 H 0.8990 . 1 585 57 57 LEU HD2 H 0.8440 . 1 586 57 57 LEU C C 175.7600 . 1 587 57 57 LEU CA C 55.4100 . 1 588 57 57 LEU CB C 42.4700 . 1 589 57 57 LEU CG C 27.1500 . 1 590 57 57 LEU CD1 C 25.4200 . 1 591 57 57 LEU CD2 C 24.9400 . 1 592 57 57 LEU N N 120.690 . 1 593 58 58 VAL H H 7.8480 . 1 594 58 58 VAL HA H 4.4850 . 1 595 58 58 VAL HB H 2.1420 . 1 596 58 58 VAL HG1 H 0.9510 . 1 597 58 58 VAL HG2 H 0.9340 . 1 598 58 58 VAL C C 173.8800 . 1 599 58 58 VAL CA C 59.5200 . 1 600 58 58 VAL CB C 32.7100 . 1 601 58 58 VAL CG1 C 21.3500 . 1 602 58 58 VAL CG2 C 21.0500 . 1 603 58 58 VAL N N 119.740 . 1 604 59 59 PRO HA H 4.4490 . 1 605 59 59 PRO HB2 H 2.3110 . 1 606 59 59 PRO HB3 H 1.9450 . 1 607 59 59 PRO HG2 H 2.0980 . 1 608 59 59 PRO HG3 H 1.8680 . 1 609 59 59 PRO HD2 H 3.8970 . 1 610 59 59 PRO HD3 H 3.6890 . 1 611 59 59 PRO C C 174.2500 . 1 612 59 59 PRO CA C 63.200 . 1 613 59 59 PRO CB C 32.1200 . 1 614 59 59 PRO CG C 27.7500 . 1 615 59 59 PRO CD C 50.7500 . 1 616 60 60 ARG H H 8.3970 . 1 617 60 60 ARG HA H 4.3350 . 1 618 60 60 ARG HB2 H 1.890 . 1 619 60 60 ARG HB3 H 1.8270 . 1 620 60 60 ARG HG2 H 1.7010 . 1 621 60 60 ARG HG3 H 1.7010 . 1 622 60 60 ARG HD2 H 3.2430 . 1 623 60 60 ARG HD3 H 3.2430 . 1 624 60 60 ARG C C 176.6200 . 1 625 60 60 ARG CA C 56.4600 . 1 626 60 60 ARG CB C 30.7200 . 1 627 60 60 ARG CG C 27.1500 . 1 628 60 60 ARG CD C 43.2500 . 1 629 60 60 ARG N N 121.450 . 1 630 61 61 GLY H H 8.5410 . 1 631 61 61 GLY HA2 H 4.0030 . 1 632 61 61 GLY HA3 H 4.0030 . 1 633 61 61 GLY C C 174.0900 . 1 634 61 61 GLY CA C 45.6500 . 1 635 61 61 GLY N N 110.770 . 1 636 62 62 SER H H 8.1450 . 1 637 62 62 SER HA H 4.4700 . 1 638 62 62 SER HB2 H 3.9540 . 1 639 62 62 SER HB3 H 3.8940 . 1 640 62 62 SER C C 174.2700 . 1 641 62 62 SER CA C 58.7500 . 1 642 62 62 SER CB C 64.1000 . 1 643 62 62 SER N N 115.890 . 1 644 63 63 LYS H H 8.3360 . 1 645 63 63 LYS HA H 4.3720 . 1 646 63 63 LYS HB2 H 1.8770 . 1 647 63 63 LYS HB3 H 1.8770 . 1 648 63 63 LYS HG2 H 1.4660 . 1 649 63 63 LYS HG3 H 1.4660 . 1 650 63 63 LYS HD2 H 1.6890 . 1 651 63 63 LYS HD3 H 1.6890 . 1 652 63 63 LYS HE2 H 3.210 . 1 653 63 63 LYS HE3 H 3.210 . 1 654 63 63 LYS C C 175.9500 . 1 655 63 63 LYS CA C 56.1200 . 1 656 63 63 LYS CB C 32.8300 . 1 657 63 63 LYS CG C 25.4500 . 1 658 63 63 LYS CD C 28.2500 . 1 659 63 63 LYS CE C 42.2500 . 1 660 63 63 LYS N N 122.680 . 1 661 64 64 ARG H H 8.1870 . 1 662 64 64 ARG HA H 4.3950 . 1 663 64 64 ARG HB2 H 1.8550 . 1 664 64 64 ARG HB3 H 1.8080 . 1 665 64 64 ARG HG2 H 1.6850 . 1 666 64 64 ARG HG3 H 1.6850 . 1 667 64 64 ARG HD2 H 3.2300 . 1 668 64 64 ARG HD3 H 3.2300 . 1 669 64 64 ARG C C 175.5500 . 1 670 64 64 ARG CA C 56.3500 . 1 671 64 64 ARG CB C 30.9500 . 1 672 64 64 ARG CG C 27.1500 . 1 673 64 64 ARG CD C 43.2500 . 1 674 64 64 ARG N N 120.930 . 1 675 65 65 ILE H H 8.1650 . 1 676 65 65 ILE HA H 4.2550 . 1 677 65 65 ILE HB H 1.9250 . 1 678 65 65 ILE HG12 H 1.4950 . 1 679 65 65 ILE HG13 H 1.2240 . 1 680 65 65 ILE HG2 H 0.9380 . 1 681 65 65 ILE HD1 H 0.8780 . 1 682 65 65 ILE C C 175.8800 . 1 683 65 65 ILE CA C 61.1700 . 1 684 65 65 ILE CB C 38.8200 . 1 685 65 65 ILE CG1 C 27.3500 . 1 686 65 65 ILE CG2 C 17.5700 . 1 687 65 65 ILE CD1 C 13.3500 . 1 688 65 65 ILE N N 121.120 . 1 689 66 66 SER H H 8.3460 . 1 690 66 66 SER HA H 4.5110 . 1 691 66 66 SER HB2 H 3.9320 . 1 692 66 66 SER HB3 H 3.9320 . 1 693 66 66 SER C C 174.4900 . 1 694 66 66 SER CA C 58.5800 . 1 695 66 66 SER CB C 64.1100 . 1 696 66 66 SER N N 120.720 . 1 697 67 67 GLY H H 8.2750 . 1 698 67 67 GLY HA2 H 4.0370 . 1 699 67 67 GLY HA3 H 4.0370 . 1 700 67 67 GLY C C 175.8400 . 1 701 67 67 GLY CA C 45.4800 . 1 702 67 67 GLY N N 110.050 . 1 703 68 68 LEU H H 8.0570 . 1 704 68 68 LEU HA H 4.4920 . 1 705 68 68 LEU HB2 H 1.6730 . 1 706 68 68 LEU HB3 H 1.5250 . 1 707 68 68 LEU HG H 1.6850 . 1 708 68 68 LEU HD1 H 0.9110 . 1 709 68 68 LEU HD2 H 0.8810 . 1 710 68 68 LEU C C 177.4500 . 1 711 68 68 LEU CA C 55.4100 . 1 712 68 68 LEU CB C 42.7100 . 1 713 68 68 LEU CG C 26.9500 . 1 714 68 68 LEU CD1 C 25.3500 . 1 715 68 68 LEU CD2 C 25.1900 . 1 716 68 68 LEU N N 120.990 . 1 717 70 70 TYR HA H 4.0390 . 1 718 70 70 TYR HB2 H 3.1870 . 1 719 70 70 TYR HB3 H 3.020 . 1 720 70 70 TYR HD1 H 7.0020 . 1 721 70 70 TYR HD2 H 7.0020 . 1 722 70 70 TYR HE1 H 6.730 . 1 723 70 70 TYR HE2 H 6.730 . 1 724 70 70 TYR CA C 61.6500 . 1 725 70 70 TYR CB C 38.2500 . 1 726 71 71 GLU H H 8.9990 . 1 727 71 71 GLU HA H 4.1730 . 1 728 71 71 GLU HB2 H 1.9850 . 1 729 71 71 GLU HB3 H 1.9850 . 1 730 71 71 GLU CA C 60.1200 . 1 731 71 71 GLU CB C 29.0800 . 1 732 71 71 GLU N N 117.580 . 1 733 72 72 GLU H H 7.760 . 1 734 72 72 GLU HA H 4.1650 . 1 735 72 72 GLU HB2 H 2.150 . 1 736 72 72 GLU HB3 H 2.150 . 1 737 72 72 GLU HG2 H 2.149 . 1 738 72 72 GLU HG3 H 2.360 . 1 739 72 72 GLU C C 178.090 . 1 740 72 72 GLU CA C 58.3500 . 1 741 72 72 GLU CB C 29.8800 . 1 742 72 72 GLU CG C 36.250 . 1 743 72 72 GLU N N 119.620 . 1 744 73 73 VAL H H 7.8690 . 1 745 73 73 VAL HA H 3.7570 . 1 746 73 73 VAL HB H 2.160 . 1 747 73 73 VAL HG1 H 0.9850 . 1 748 73 73 VAL HG2 H 0.8710 . 1 749 73 73 VAL C C 176.6200 . 1 750 73 73 VAL CA C 65.4500 . 1 751 73 73 VAL CB C 31.5400 . 1 752 73 73 VAL CG1 C 22.9500 . 1 753 73 73 VAL CG2 C 22.0800 . 1 754 73 73 VAL N N 117.510 . 1 755 74 74 ARG H H 8.3350 . 1 756 74 74 ARG HA H 3.6490 . 1 757 74 74 ARG HB2 H 1.6680 . 1 758 74 74 ARG HB3 H 1.3510 . 1 759 74 74 ARG HG2 H 1.4650 . 1 760 74 74 ARG HG3 H 1.4650 . 1 761 74 74 ARG HD2 H 3.1280 . 1 762 74 74 ARG HD3 H 3.1280 . 1 763 74 74 ARG C C 176.8600 . 1 764 74 74 ARG CA C 59.9500 . 1 765 74 74 ARG CB C 30.070 . 1 766 74 74 ARG CG C 26.6500 . 1 767 74 74 ARG CD C 43.450 . 1 768 74 74 ARG N N 120.440 . 1 769 75 75 ALA H H 7.7250 . 1 770 75 75 ALA HA H 4.1570 . 1 771 75 75 ALA HB H 1.5880 . 1 772 75 75 ALA C C 180.3800 . 1 773 75 75 ALA CA C 55.5400 . 1 774 75 75 ALA CB C 18.3200 . 1 775 75 75 ALA N N 119.490 . 1 776 76 76 VAL H H 7.8140 . 1 777 76 76 VAL HA H 4.12500 . 1 778 76 76 VAL HB H 2.3120 . 1 779 76 76 VAL HG1 H 1.1720 . 1 780 76 76 VAL HG2 H 1.1130 . 1 781 76 76 VAL C C 178.3400 . 1 782 76 76 VAL CA C 64.9500 . 1 783 76 76 VAL CB C 31.8200 . 1 784 76 76 VAL CG1 C 22.3500 . 1 785 76 76 VAL CG2 C 22.0500 . 1 786 76 76 VAL N N 116.910 . 1 787 77 77 LEU H H 8.3890 . 1 788 77 77 LEU HA H 4.4250 . 1 789 77 77 LEU HB2 H 1.9490 . 1 790 77 77 LEU HB3 H 1.6790 . 1 791 77 77 LEU HG H 1.9450 . 1 792 77 77 LEU HD1 H 1.0890 . 1 793 77 77 LEU HD2 H 1.1380 . 1 794 77 77 LEU C C 177.9300 . 1 795 77 77 LEU CA C 57.2500 . 1 796 77 77 LEU CB C 43.010 . 1 797 77 77 LEU CG C 27.4500 . 1 798 77 77 LEU CD1 C 25.6500 . 1 799 77 77 LEU CD2 C 24.6500 . 1 800 77 77 LEU N N 121.020 . 1 801 78 78 LYS H H 8.7570 . 1 802 78 78 LYS HA H 3.9070 . 1 803 78 78 LYS HB2 H 2.020 . 1 804 78 78 LYS HB3 H 1.9920 . 1 805 78 78 LYS HG2 H 1.4340 . 1 806 78 78 LYS HG3 H 1.4340 . 1 807 78 78 LYS HD2 H 1.6700 . 1 808 78 78 LYS HD3 H 1.6700 . 1 809 78 78 LYS HE2 H 3.0080 . 1 810 78 78 LYS HE3 H 2.946 . 1 811 78 78 LYS C C 177.3200 . 1 812 78 78 LYS CA C 61.3500 . 1 813 78 78 LYS CB C 32.4500 . 1 814 78 78 LYS CG C 25.6500 . 1 815 78 78 LYS CD C 29.7100 . 1 816 78 78 LYS CE C 42.2500 . 1 817 78 78 LYS N N 120.530 . 1 818 79 79 SER H H 8.0550 . 1 819 79 79 SER HA H 4.2700 . 1 820 79 79 SER HB2 H 4.0870 . 1 821 79 79 SER HB3 H 4.0870 . 1 822 79 79 SER C C 177.3200 . 1 823 79 79 SER CA C 62.2500 . 1 824 79 79 SER CB C 63.0500 . 1 825 79 79 SER N N 113.040 . 1 826 80 80 PHE H H 7.7340 . 1 827 80 80 PHE HA H 4.2550 . 1 828 80 80 PHE HB2 H 2.880 . 1 829 80 80 PHE HB3 H 2.880 . 1 830 80 80 PHE HD1 H 6.6490 . 1 831 80 80 PHE HD2 H 6.6490 . 1 832 80 80 PHE HE1 H 6.750 . 1 833 80 80 PHE HE2 H 6.750 . 1 834 80 80 PHE HZ H 6.840 . 1 835 80 80 PHE C C 176.4800 . 1 836 80 80 PHE CA C 60.6500 . 1 837 80 80 PHE CB C 39.4500 . 1 838 80 80 PHE N N 123.520 . 1 839 81 81 LEU H H 8.6930 . 1 840 81 81 LEU HA H 3.5580 . 1 841 81 81 LEU HB2 H 2.0650 . 1 842 81 81 LEU HB3 H 1.2470 . 1 843 81 81 LEU HG H 1.9210 . 1 844 81 81 LEU HD1 H 0.8750 . 1 845 81 81 LEU HD2 H 0.8750 . 1 846 81 81 LEU C C 178.2800 . 1 847 81 81 LEU CA C 57.6500 . 1 848 81 81 LEU CB C 42.7500 . 1 849 81 81 LEU CG C 27.6500 . 1 850 81 81 LEU CD1 C 25.6500 . 1 851 81 81 LEU CD2 C 23.9500 . 1 852 81 81 LEU N N 119.370 . 1 853 82 82 GLU H H 8.8690 . 1 854 82 82 GLU HA H 3.7850 . 1 855 82 82 GLU HB2 H 2.2900 . 1 856 82 82 GLU HB3 H 2.0940 . 1 857 82 82 GLU HG2 H 2.5370 . 1 858 82 82 GLU HG3 H 2.3800 . 1 859 82 82 GLU C C 177.8700 . 1 860 82 82 GLU CA C 60.5500 . 1 861 82 82 GLU CB C 29.2800 . 1 862 82 82 GLU CG C 36.4500 . 1 863 82 82 GLU N N 118.350 . 1 864 83 83 SER H H 7.4740 . 1 865 83 83 SER HA H 4.1650 . 1 866 83 83 SER HB2 H 3.9730 . 1 867 83 83 SER HB3 H 3.9730 . 1 868 83 83 SER C C 177.8300 . 1 869 83 83 SER CA C 61.1500 . 1 870 83 83 SER CB C 62.7500 . 1 871 83 83 SER N N 113.610 . 1 872 84 84 VAL H H 7.6680 . 1 873 84 84 VAL HA H 3.6600 . 1 874 84 84 VAL HB H 1.5560 . 1 875 84 84 VAL HG1 H 0.2740 . 1 876 84 84 VAL HG2 H 0.6160 . 1 877 84 84 VAL C C 179.2700 . 1 878 84 84 VAL CA C 65.7500 . 1 879 84 84 VAL CB C 32.0300 . 1 880 84 84 VAL CG1 C 22.6800 . 1 881 84 84 VAL CG2 C 22.0500 . 1 882 84 84 VAL N N 121.040 . 1 883 85 85 ILE H H 9.0860 . 1 884 85 85 ILE HA H 3.5370 . 1 885 85 85 ILE HB H 1.7170 . 1 886 85 85 ILE HG12 H 1.6690 . 1 887 85 85 ILE HG13 H 0.8240 . 1 888 85 85 ILE HG2 H 0.480 . 1 889 85 85 ILE HD1 H 0.6160 . 1 890 85 85 ILE C C 176.5500 . 1 891 85 85 ILE CA C 66.7100 . 1 892 85 85 ILE CB C 36.2100 . 1 893 85 85 ILE CG1 C 31.4600 . 1 894 85 85 ILE CG2 C 17.3500 . 1 895 85 85 ILE CD1 C 15.0600 . 1 896 85 85 ILE N N 123.350 . 1 897 86 86 ARG H H 8.1250 . 1 898 86 86 ARG HA H 3.8020 . 1 899 86 86 ARG HB2 H 2.0820 . 1 900 86 86 ARG HB3 H 1.9980 . 1 901 86 86 ARG HG2 H 1.8450 . 1 902 86 86 ARG HG3 H 1.6680 . 1 903 86 86 ARG HD2 H 3.3340 . 1 904 86 86 ARG HD3 H 3.2960 . 1 905 86 86 ARG C C 178.9200 . 1 906 86 86 ARG CA C 59.9800 . 1 907 86 86 ARG CB C 29.6500 . 1 908 86 86 ARG CG C 27.2600 . 1 909 86 86 ARG CD C 43.4500 . 1 910 86 86 ARG N N 120.150 . 1 911 87 87 ASP H H 7.6680 . 1 912 87 87 ASP HA H 4.5370 . 1 913 87 87 ASP HB2 H 2.8470 . 1 914 87 87 ASP HB3 H 2.6140 . 1 915 87 87 ASP C C 178.0500 . 1 916 87 87 ASP CA C 57.1400 . 1 917 87 87 ASP CB C 40.5200 . 1 918 87 87 ASP N N 118.810 . 1 919 88 88 SER H H 8.5060 . 1 920 88 88 SER HA H 4.1660 . 1 921 88 88 SER HB2 H 3.620 . 1 922 88 88 SER HB3 H 3.620 . 1 923 88 88 SER C C 175.3500 . 1 924 88 88 SER CA C 57.170 . 1 925 88 88 SER CB C 64.0500 . 1 926 88 88 SER N N 119.350 . 1 927 89 89 VAL H H 8.5050 . 1 928 89 89 VAL HA H 3.6110 . 1 929 89 89 VAL HB H 2.1870 . 1 930 89 89 VAL HG1 H 0.9850 . 1 931 89 89 VAL HG2 H 0.9660 . 1 932 89 89 VAL C C 177.4400 . 1 933 89 89 VAL CA C 65.9900 . 1 934 89 89 VAL CB C 31.2400 . 1 935 89 89 VAL CG1 C 23.3500 . 1 936 89 89 VAL CG2 C 21.5500 . 1 937 89 89 VAL N N 121.2400 . 1 938 90 90 THR H H 8.0160 . 1 939 90 90 THR HA H 4.0130 . 1 940 90 90 THR HB H 4.2550 . 1 941 90 90 THR HG2 H 1.1460 . 1 942 90 90 THR C C 177.4100 . 1 943 90 90 THR CA C 66.5500 . 1 944 90 90 THR CB C 68.2200 . 1 945 90 90 THR CG2 C 22.0800 . 1 946 90 90 THR N N 117.040 . 1 947 91 91 TYR H H 7.8220 . 1 948 91 91 TYR HA H 4.1620 . 1 949 91 91 TYR HB2 H 3.2010 . 1 950 91 91 TYR HB3 H 3.2010 . 1 951 91 91 TYR HD1 H 7.1780 . 1 952 91 91 TYR HD2 H 7.1780 . 1 953 91 91 TYR HE1 H 6.5630 . 1 954 91 91 TYR HE2 H 6.5630 . 1 955 91 91 TYR C C 178.1800 . 1 956 91 91 TYR CA C 62.4700 . 1 957 91 91 TYR CB C 38.0300 . 1 958 91 91 TYR N N 122.7700 . 1 959 92 92 THR H H 8.160 . 1 960 92 92 THR HA H 3.6780 . 1 961 92 92 THR HB H 4.090 . 1 962 92 92 THR HG2 H 0.8310 . 1 963 92 92 THR C C 175.8800 . 1 964 92 92 THR CA C 67.3900 . 1 965 92 92 THR CB C 69.1900 . 1 966 92 92 THR CG2 C 19.8500 . 1 967 92 92 THR N N 119.350 . 1 968 93 93 GLU H H 8.5140 . 1 969 93 93 GLU HA H 4.2380 . 1 970 93 93 GLU HB2 H 2.1570 . 1 971 93 93 GLU HB3 H 2.1570 . 1 972 93 93 GLU HG2 H 2.5350 . 1 973 93 93 GLU HG3 H 2.3020 . 1 974 93 93 GLU C C 181.3400 . 1 975 93 93 GLU CA C 58.2900 . 1 976 93 93 GLU CB C 28.8900 . 1 977 93 93 GLU CG C 35.6500 . 1 978 93 93 GLU N N 118.8400 . 1 979 94 94 HIS H H 8.5310 . 1 980 94 94 HIS HA H 4.4650 . 1 981 94 94 HIS HB2 H 3.3550 . 1 982 94 94 HIS HB3 H 3.3550 . 1 983 94 94 HIS C C 175.3900 . 1 984 94 94 HIS CA C 58.2500 . 1 985 94 94 HIS CB C 28.1100 . 1 986 94 94 HIS N N 120.870 . 1 987 95 95 ALA H H 7.5250 . 1 988 95 95 ALA HA H 4.3350 . 1 989 95 95 ALA HB H 1.520 . 1 990 95 95 ALA C C 175.3800 . 1 991 95 95 ALA CA C 51.7500 . 1 992 95 95 ALA CB C 18.7100 . 1 993 95 95 ALA N N 121.010 . 1 994 96 96 LYS H H 8.2320 . 1 995 96 96 LYS HA H 3.9550 . 1 996 96 96 LYS HB2 H 2.1360 . 1 997 96 96 LYS HB3 H 1.9750 . 1 998 96 96 LYS HG2 H 1.3780 . 1 999 96 96 LYS HG3 H 1.3780 . 1 1000 96 96 LYS HD2 H 1.7440 . 1 1001 96 96 LYS HD3 H 1.6800 . 1 1002 96 96 LYS HE2 H 3.0350 . 1 1003 96 96 LYS HE3 H 3.0350 . 1 1004 96 96 LYS C C 175.0200 . 1 1005 96 96 LYS CA C 56.5900 . 1 1006 96 96 LYS CB C 28.6500 . 1 1007 96 96 LYS CG C 24.9500 . 1 1008 96 96 LYS CD C 28.6500 . 1 1009 96 96 LYS CE C 42.2500 . 1 1010 96 96 LYS N N 115.990 . 1 1011 97 97 ARG H H 7.6850 . 1 1012 97 97 ARG HA H 4.6510 . 1 1013 97 97 ARG HB2 H 1.9310 . 1 1014 97 97 ARG HB3 H 1.9310 . 1 1015 97 97 ARG HG2 H 1.700 . 1 1016 97 97 ARG HG3 H 1.700 . 1 1017 97 97 ARG HD2 H 3.3420 . 1 1018 97 97 ARG HD3 H 3.3420 . 1 1019 97 97 ARG C C 175.2500 . 1 1020 97 97 ARG CA C 55.0100 . 1 1021 97 97 ARG CB C 35.1700 . 1 1022 97 97 ARG CG C 28.4500 . 1 1023 97 97 ARG CD C 42.9900 . 1 1024 97 97 ARG N N 116.850 . 1 1025 98 98 LYS H H 8.2320 . 1 1026 98 98 LYS HA H 4.4090 . 1 1027 98 98 LYS HB2 H 2.2080 . 1 1028 98 98 LYS HB3 H 1.5620 . 1 1029 98 98 LYS HG2 H 1.2930 . 1 1030 98 98 LYS HG3 H 1.2930 . 1 1031 98 98 LYS HD2 H 1.7010 . 1 1032 98 98 LYS HD3 H 1.5180 . 1 1033 98 98 LYS HE2 H 2.9350 . 1 1034 98 98 LYS HE3 H 2.9350 . 1 1035 98 98 LYS C C 174.3200 . 1 1036 98 98 LYS CA C 54.5000 . 1 1037 98 98 LYS CB C 33.5900 . 1 1038 98 98 LYS CG C 24.6500 . 1 1039 98 98 LYS CD C 28.4500 . 1 1040 98 98 LYS CE C 42.8500 . 1 1041 98 98 LYS N N 115.990 . 1 1042 99 99 THR H H 6.7680 . 1 1043 99 99 THR HA H 4.7690 . 1 1044 99 99 THR HB H 3.8780 . 1 1045 99 99 THR HG2 H 1.0050 . 1 1046 99 99 THR C C 172.1700 . 1 1047 99 99 THR CA C 60.5100 . 1 1048 99 99 THR CB C 70.1800 . 1 1049 99 99 THR CG2 C 21.6500 . 1 1050 99 99 THR N N 114.310 . 1 1051 100 100 VAL H H 8.690 . 1 1052 100 100 VAL HA H 3.9870 . 1 1053 100 100 VAL HB H 1.1870 . 1 1054 100 100 VAL HG1 H 0.6520 . 1 1055 100 100 VAL HG2 H 0.0790 . 1 1056 100 100 VAL C C 175.6900 . 1 1057 100 100 VAL CA C 61.9500 . 1 1058 100 100 VAL CB C 32.2900 . 1 1059 100 100 VAL CG1 C 21.3500 . 1 1060 100 100 VAL CG2 C 19.5500 . 1 1061 100 100 VAL N N 128.820 . 1 1062 101 101 THR H H 9.2630 . 1 1063 101 101 THR HA H 4.7980 . 1 1064 101 101 THR HB H 4.6040 . 1 1065 101 101 THR HG2 H 1.1880 . 1 1066 101 101 THR C C 176.4600 . 1 1067 101 101 THR CA C 59.9900 . 1 1068 101 101 THR CB C 72.5500 . 1 1069 101 101 THR CG2 C 21.5500 . 1 1070 101 101 THR N N 118.310 . 1 1071 102 102 SER H H 9.1480 . 1 1072 102 102 SER HA H 3.9130 . 1 1073 102 102 SER HB2 H 3.6920 . 1 1074 102 102 SER HB3 H 3.6920 . 1 1075 102 102 SER C C 175.2100 . 1 1076 102 102 SER CA C 61.8500 . 1 1077 102 102 SER CB C 61.8500 . 1 1078 102 102 SER N N 115.810 . 1 1079 103 103 LEU H H 7.3890 . 1 1080 103 103 LEU HA H 3.9650 . 1 1081 103 103 LEU HB2 H 1.5730 . 1 1082 103 103 LEU HB3 H 1.4740 . 1 1083 103 103 LEU HG H 1.3480 . 1 1084 103 103 LEU HD1 H 0.8590 . 1 1085 103 103 LEU HD2 H 0.6580 . 1 1086 103 103 LEU C C 177.7800 . 1 1087 103 103 LEU CA C 57.6300 . 1 1088 103 103 LEU CB C 41.4300 . 1 1089 103 103 LEU CG C 26.9500 . 1 1090 103 103 LEU CD1 C 24.1500 . 1 1091 103 103 LEU CD2 C 23.9500 . 1 1092 103 103 LEU N N 121.540 . 1 1093 104 104 ASP H H 7.240 . 1 1094 104 104 ASP HA H 4.240 . 1 1095 104 104 ASP HB2 H 3.070 . 1 1096 104 104 ASP HB3 H 2.950 . 1 1097 104 104 ASP C C 177.2300 . 1 1098 104 104 ASP CA C 58.1400 . 1 1099 104 104 ASP CB C 41.0500 . 1 1100 104 104 ASP N N 120.260 . 1 1101 105 105 VAL H H 7.150 . 1 1102 105 105 VAL HA H 4.0250 . 1 1103 105 105 VAL HB H 2.1940 . 1 1104 105 105 VAL HG1 H 1.1740 . 1 1105 105 105 VAL HG2 H 0.7840 . 1 1106 105 105 VAL C C 177.5500 . 1 1107 105 105 VAL CA C 65.2700 . 1 1108 105 105 VAL CB C 31.5700 . 1 1109 105 105 VAL CG1 C 21.6500 . 1 1110 105 105 VAL CG2 C 21.4500 . 1 1111 105 105 VAL N N 118.230 . 1 1112 106 106 VAL H H 8.380 . 1 1113 106 106 VAL HA H 3.5120 . 1 1114 106 106 VAL HB H 2.1330 . 1 1115 106 106 VAL HG1 H 1.0450 . 1 1116 106 106 VAL HG2 H 0.9280 . 1 1117 106 106 VAL C C 178.5200 . 1 1118 106 106 VAL CA C 67.4400 . 1 1119 106 106 VAL CB C 31.7700 . 1 1120 106 106 VAL CG1 C 22.9300 . 1 1121 106 106 VAL CG2 C 21.3500 . 1 1122 106 106 VAL N N 120.4500 . 1 1123 107 107 TYR H H 8.2460 . 1 1124 107 107 TYR HA H 4.1130 . 1 1125 107 107 TYR HB2 H 2.6370 . 1 1126 107 107 TYR HB3 H 2.5700 . 1 1127 107 107 TYR HD1 H 7.2050 . 1 1128 107 107 TYR HD2 H 7.2050 . 1 1129 107 107 TYR HE1 H 6.790 . 1 1130 107 107 TYR HE2 H 6.790 . 1 1131 107 107 TYR C C 177.9500 . 1 1132 107 107 TYR CA C 60.1500 . 1 1133 107 107 TYR CB C 36.2100 . 1 1134 107 107 TYR N N 120.160 . 1 1135 108 108 ALA H H 7.9120 . 1 1136 108 108 ALA HA H 4.0180 . 1 1137 108 108 ALA HB H 1.7050 . 1 1138 108 108 ALA C C 180.3500 . 1 1139 108 108 ALA CA C 55.6700 . 1 1140 108 108 ALA CB C 20.6500 . 1 1141 108 108 ALA N N 123.660 . 1 1142 109 109 LEU H H 8.7270 . 1 1143 109 109 LEU HA H 3.8870 . 1 1144 109 109 LEU HB2 H 1.9720 . 1 1145 109 109 LEU HB3 H 1.4150 . 1 1146 109 109 LEU HG H 1.7780 . 1 1147 109 109 LEU HD1 H 0.800 . 1 1148 109 109 LEU HD2 H 0.8000 . 1 1149 109 109 LEU C C 179.2900 . 1 1150 109 109 LEU CA C 57.8700 . 1 1151 109 109 LEU CB C 41.4300 . 1 1152 109 109 LEU CG C 26.6900 . 1 1153 109 109 LEU CD1 C 26.5500 . 1 1154 109 109 LEU CD2 C 23.6500 . 1 1155 109 109 LEU N N 119.820 . 1 1156 110 110 LYS H H 8.180 . 1 1157 110 110 LYS HA H 4.1580 . 1 1158 110 110 LYS HB2 H 1.9500 . 1 1159 110 110 LYS HB3 H 1.9500 . 1 1160 110 110 LYS HG2 H 1.6460 . 1 1161 110 110 LYS HG3 H 1.4660 . 1 1162 110 110 LYS HD2 H 1.6570 . 1 1163 110 110 LYS HD3 H 1.6570 . 1 1164 110 110 LYS HE2 H 2.9250 . 1 1165 110 110 LYS HE3 H 2.9250 . 1 1166 110 110 LYS C C 179.4700 . 1 1167 110 110 LYS CA C 58.8500 . 1 1168 110 110 LYS CB C 32.0500 . 1 1169 110 110 LYS CG C 25.4400 . 1 1170 110 110 LYS CD C 29.1500 . 1 1171 110 110 LYS CE C 41.7500 . 1 1172 110 110 LYS N N 120.420 . 1 1173 111 111 ARG H H 7.7650 . 1 1174 111 111 ARG HA H 4.1420 . 1 1175 111 111 ARG HB2 H 1.9980 . 1 1176 111 111 ARG HB3 H 1.9640 . 1 1177 111 111 ARG HG2 H 1.6950 . 1 1178 111 111 ARG HG3 H 1.6850 . 1 1179 111 111 ARG HD2 H 3.1950 . 1 1180 111 111 ARG HD3 H 3.0940 . 1 1181 111 111 ARG C C 177.2400 . 1 1182 111 111 ARG CA C 58.1500 . 1 1183 111 111 ARG CB C 29.8100 . 1 1184 111 111 ARG CG C 26.9500 . 1 1185 111 111 ARG CD C 43.1500 . 1 1186 111 111 ARG N N 119.820 . 1 1187 112 112 GLN H H 7.8560 . 1 1188 112 112 GLN HA H 4.4350 . 1 1189 112 112 GLN HB2 H 2.4480 . 1 1190 112 112 GLN HB3 H 2.0790 . 1 1191 112 112 GLN HG2 H 2.480 . 1 1192 112 112 GLN HG3 H 2.480 . 1 1193 112 112 GLN HE21 H 8.0670 . 1 1194 112 112 GLN HE22 H 6.420 . 1 1195 112 112 GLN C C 176.0600 . 1 1196 112 112 GLN CA C 55.5500 . 1 1197 112 112 GLN CB C 28.7600 . 1 1198 112 112 GLN CG C 33.4500 . 1 1199 112 112 GLN N N 116.120 . 1 1200 112 112 GLN NE2 N 112.9130 . 1 1201 113 113 GLY H H 8.0480 . 1 1202 113 113 GLY HA2 H 4.0410 . 1 1203 113 113 GLY HA3 H 3.9880 . 1 1204 113 113 GLY C C 174.2400 . 1 1205 113 113 GLY CA C 45.9530 . 1 1206 113 113 GLY N N 108.070 . 1 1207 114 114 ARG H H 8.1160 . 1 1208 114 114 ARG HA H 4.5650 . 1 1209 114 114 ARG HB2 H 1.9140 . 1 1210 114 114 ARG HB3 H 1.7270 . 1 1211 114 114 ARG HG2 H 1.6830 . 1 1212 114 114 ARG HG3 H 1.6830 . 1 1213 114 114 ARG HD2 H 3.3110 . 1 1214 114 114 ARG HD3 H 3.2180 . 1 1215 114 114 ARG C C 175.4900 . 1 1216 114 114 ARG CA C 57.9500 . 1 1217 114 114 ARG CB C 31.5100 . 1 1218 114 114 ARG CG C 27.6500 . 1 1219 114 114 ARG CD C 43.0500 . 1 1220 114 114 ARG N N 119.710 . 1 1221 115 115 THR H H 8.14300 . 1 1222 115 115 THR HA H 4.2620 . 1 1223 115 115 THR HB H 4.090 . 1 1224 115 115 THR HG2 H 1.0860 . 1 1225 115 115 THR C C 173.4600 . 1 1226 115 115 THR CA C 61.8200 . 1 1227 115 115 THR CB C 70.0500 . 1 1228 115 115 THR CG2 C 21.5600 . 1 1229 115 115 THR N N 114.890 . 1 1230 116 116 LEU H H 8.1430 . 1 1231 116 116 LEU HA H 4.4250 . 1 1232 116 116 LEU HB2 H 1.4950 . 1 1233 116 116 LEU HB3 H 1.5420 . 1 1234 116 116 LEU HG H 1.540 . 1 1235 116 116 LEU HD1 H 0.8740 . 1 1236 116 116 LEU HD2 H 0.7720 . 1 1237 116 116 LEU C C 175.8300 . 1 1238 116 116 LEU CA C 54.7600 . 1 1239 116 116 LEU CB C 43.2800 . 1 1240 116 116 LEU CG C 26.8500 . 1 1241 116 116 LEU CD1 C 25.0500 . 1 1242 116 116 LEU CD2 C 24.1500 . 1 1243 116 116 LEU N N 124.070 . 1 1244 117 117 TYR H H 8.2130 . 1 1245 117 117 TYR HA H 4.550 . 1 1246 117 117 TYR HB2 H 3.040 . 1 1247 117 117 TYR HB3 H 2.880 . 1 1248 117 117 TYR HD1 H 7.090 . 1 1249 117 117 TYR HD2 H 7.090 . 1 1250 117 117 TYR HE1 H 6.7940 . 1 1251 117 117 TYR HE2 H 6.7940 . 1 1252 117 117 TYR C C 175.8300 . 1 1253 117 117 TYR CA C 58.1400 . 1 1254 117 117 TYR CB C 38.8500 . 1 1255 117 117 TYR N N 121.630 . 1 1256 118 118 GLY H H 8.2750 . 1 1257 118 118 GLY HA2 H 3.930 . 1 1258 118 118 GLY HA3 H 3.690 . 1 1259 118 118 GLY C C 173.6600 . 1 1260 118 118 GLY CA C 45.470 . 1 1261 118 118 GLY N N 110.050 . 1 1262 119 119 PHE H H 8.0330 . 1 1263 119 119 PHE HA H 4.6120 . 1 1264 119 119 PHE HB2 H 3.1520 . 1 1265 119 119 PHE HB3 H 2.8900 . 1 1266 119 119 PHE HD1 H 6.750 . 1 1267 119 119 PHE HD2 H 6.750 . 1 1268 119 119 PHE HE1 H 7.2010 . 1 1269 119 119 PHE HE2 H 7.2010 . 1 1270 119 119 PHE HZ H 6.8540 . 1 1271 119 119 PHE C C 175.2800 . 1 1272 119 119 PHE CA C 58.0600 . 1 1273 119 119 PHE CB C 40.0500 . 1 1274 119 119 PHE N N 119.610 . 1 1275 120 120 GLY H H 8.3340 . 1 1276 120 120 GLY HA2 H 3.8980 . 1 1277 120 120 GLY HA3 H 3.8980 . 1 1278 120 120 GLY C C 173.0500 . 1 1279 120 120 GLY CA C 45.6500 . 1 1280 120 120 GLY N N 110.930 . 1 1281 121 121 GLY H H 7.6170 . 1 1282 121 121 GLY HA2 H 3.830 . 1 1283 121 121 GLY HA3 H 3.830 . 1 1284 121 121 GLY C C 178.4200 . 1 1285 121 121 GLY CA C 46.0100 . 1 1286 121 121 GLY N N 114.680 . 1 stop_ save_